! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -5.6559315536   0.0281091642   0.3210756273
O    1.9184856460  -2.4155951539  -0.8014497783
O    0.0367363271  -0.5673857123  -0.9310425779
N    1.2695019140   1.0830800920   0.1373446431
N    1.1880294125   1.6735087250   1.3335963035
N    1.6147690351   3.1851363989  -0.2598808794
C    3.5663616958  -1.0923606892   0.2999328344
C    2.3020159023  -1.0811236003  -0.5910965809
C    1.0757748045  -0.3422523350  -0.0153363933
C    3.2731784479  -1.6623736227   1.6891633993
C    4.6115847514  -1.9731130254  -0.3970283263
C    4.1761873378   0.3049696081   0.4448494260
C    1.5203652552   1.9984462582  -0.8058417625
C   -1.2600454725  -0.3978177578  -0.5615574411
C    1.4063668183   2.9309276646   1.0483199325
C   -1.6761901400   0.0815832902   0.6743844450
C   -2.2053752620  -0.7407868335  -1.5246599626
C   -3.0333315671   0.2088459398   0.9418152187
C   -3.5553327908  -0.6124259703  -1.2567050976
C   -3.9646762511  -0.1371045099  -0.0190965715
H    2.5706907249  -0.5979504459  -1.5441207333
H    0.8309223100  -0.7339387498   0.9754867138
H    2.6272295540  -1.0089371194   2.2795260734
H    2.8056658939  -2.6467112414   1.6438315069
H    4.2021358882  -1.7717642964   2.2522855083
H    4.2996368189  -3.0125280020  -0.4850442405
H    5.5435471802  -1.9599888763   0.1711696183
H    4.8394296529  -1.6046461299  -1.4006118914
H    5.1755103022   0.2212639206   0.8771233847
H    3.6113036215   0.9555180327   1.1103092991
H    4.2876878546   0.8081934742  -0.5180543388
H    1.2620238597  -2.4492176095  -1.5037746859
H    1.6195717054   1.7649825018  -1.8541897114
H    1.4098413106   3.6947624948   1.8099945706
H   -0.9802015157   0.3752844582   1.4475430852
H   -1.8815604635  -1.1135933552  -2.4879411292
H   -3.3473050379   0.5847239230   1.9059666169
H   -4.2798199244  -0.8846423953  -2.0121860893
*